SCHEMBL4752048

SCHEMBL4752048

CCN(I)c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ESR1 P03372 1/20 0.37
ACHE P22303 1/20 0.36
TAAR1 Q96RJ0 4/20 0.35
ALDH1A1 P00352 2/20 0.33
PSIP1 O75475 1/20 0.33
AOC3 Q16853 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MC4R P32245 3/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1490146 0.77 LMNA (0.41) KDM4EESR1ACHETAAR1ALDH1A1
SCHEMBL24620291 0.77 KDM4E (0.40) KDM4EESR1ACHETAAR1ALDH1A1
SCHEMBL22317583 0.76 LMNA (0.43) KDM4EESR1ACHEALDH1A1TP53
SCHEMBL8446375 0.76 TAAR1 (0.41) KDM4EESR1ACHETAAR1ALDH1A1
SCHEMBL31274920 0.74 KDM4E (0.38) KDM4EESR1ACHETAAR1ALDH1A1
SCHEMBL22067646 0.74 ACHE (0.38) ESR1ACHETAAR1ALDH1A1AOC3
SCHEMBL16316809 0.72 LMNA (0.38) KDM4EESR1ACHETAAR1ALDH1A1
SCHEMBL13153319 0.71 KDM4E (0.36) KDM4EESR1ACHETAAR1ALDH1A1
SCHEMBL5802807 0.71 SIGMAR1 (0.51) KDM4EALDH1A1LMNAMAPTL3MBTL1
SCHEMBL10620529 0.70 ESR1 (0.47) ESR1ACHETAAR1ALDH1A1AOC3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008138499-A1 INSECTICIDAL SUBSTITUTED THIOUREA DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-11-20 WO disclosed